SCHEMBL7864468

SCHEMBL7864468

CSC(C[C@H](NC(=O)c1cc(COC(Cn2ccnc2)c2ccc(F)cc2)ccc1CCc1ccc(F)cc1)C(=O)O)C(C)(C)CN1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
IDO1 P14902 3/20 0.33
FNTA P49354 3/20 0.32
FNTB P49356 3/20 0.32
PGGT1B P53609 2/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7864465 0.84 FNTA (0.39) PTGS2IDO1FNTAFNTBPGGT1B
SCHEMBL7564412 0.81 FNTA (0.49) PTGS2IDO1FNTAFNTBPGGT1B
SCHEMBL7561955 0.76 FNTA (0.51) PTGS2IDO1FNTAFNTBCYP3A4
SCHEMBL7612438 0.75 FNTA (0.49) PTGS2IDO1FNTAFNTB
SCHEMBL7570972 0.75 IDO1 (0.49) PTGS2IDO1CYP3A4CYP2C9CYP2C19
SCHEMBL7568488 0.73 PTGS2 (0.40) PTGS2IDO1FNTAFNTBPGGT1B
SCHEMBL7562597 0.73 FNTA (0.49) PTGS2FNTAFNTBPGGT1BCYP3A4
SCHEMBL7662191 0.72 FNTA (0.38) PTGS2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8194789 0.72 FNTA (0.39) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL8194792 0.70 FNTA (0.40) FNTAFNTBPGGT1BMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 EP claimed